2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile

C16H12FN3O — CID 507394

IUPAC2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2CC#N
InChIInChI=1S/C16H12FN3O/c1-21-14-8-4-7-13-15(14)19-16(20(13)10-9-18)11-5-2-3-6-12(11)17/h2-8H,10H2,1H3
InChIKeyMMMWKCCRBRYAKS-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.37
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile

2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile (PubChem CID 507394) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
PubChem CID507394
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2CC#N
InChIInChI=1S/C16H12FN3O/c1-21-14-8-4-7-13-15(14)19-16(20(13)10-9-18)11-5-2-3-6-12(11)17/h2-8H,10H2,1H3
InChIKeyMMMWKCCRBRYAKS-UHFFFAOYSA-N
XLogP3.37
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
CID 507354
1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
CID 507391
2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
CID 507380
2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole
CID 19243357
2-[2-(3-fluorophenyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 94748447
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157949
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301
3-[5,6-dimethoxy-2-(2-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 94748439
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
4-[5,6-difluoro-2-(2-fluorophenyl)benzimidazol-1-yl]butanenitrile
CID 94757427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile (CID 507394) is 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile is COc1cccc2c1nc(-c1ccccc1F)n2CC#N.
What is the InChIKey of 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile?
The InChIKey is MMMWKCCRBRYAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-21-14-8-4-7-13-15(14)19-16(20(13)10-9-18)11-5-2-3-6-12(11)17/h2-8H,10H2,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile?
2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile has a molecular weight of 281.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 507394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).